%chk=000168182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168182

0 1
 O   -2.525100      1.3600000E-02  -1.855200    
 O  -0.4653000      -2.469300       1.570800    
 O   0.1538000      -3.954900     -1.6500000E-02
 N   -1.107900     -0.5833000     -0.1193000    
 N    3.597900     -0.7633000      0.6168000    
 N   -2.746100       2.520300     -0.7701000    
 C  -0.5477000      -1.757900     -0.7464000    
 C   -3.709200       1.097600       1.027500    
 C   -2.481800       1.399500      0.1354000    
 C   0.7235000      -1.418600      -1.537500    
 C    1.828800     -0.8721000     -0.6788000    
 C    2.042800      0.4872000     -0.3809000    
 C   -2.062000      0.2147000     -0.7336000    
 C    3.170100      0.5336000      0.4421000    
 C   -4.959900      0.8019000      0.1941000    
 C   -3.482000     -3.2099999E-02   2.038200    
 C    2.782100      -1.625500     -6.5700002E-02
 C  -0.2478000      -2.835800      0.2851000    
 C    1.400900       1.694700     -0.7204000    
 C    3.689600       1.731900      0.9447000    
 C    1.909200       2.901000     -0.2250000    
 C    3.036100       2.916900      0.5946000    
 H   -1.303400      -2.170600      -1.425300    
 H   -3.918300       2.004500       1.612300    
 H   -1.642900       1.687800      0.7804000    
 H   0.4846000     -0.6937000      -2.326200    
 H    1.086600      -2.318100      -2.052400    
 H  -0.7750000     -0.3338000      0.8077000    
 H   -5.814800      0.6076000      0.8522000    
 H   -5.242200       1.645800     -0.4422000    
 H   -4.831000     -8.2400002E-02 -0.4378000    
 H   -3.374500      -1.002600       1.543500    
 H   -2.580800      0.1544000       2.631400    
 H   -4.327700     -0.1051000       2.730600    
 H    2.967900      -2.690200     -4.4300001E-02
 H    4.398600      -1.038200       1.168900    
 H   -3.431700       2.255000      -1.475500    
 H   -1.894700       2.756400      -1.279100    
 H   0.5274000       1.704000      -1.365000    
 H    4.566800       1.745400       1.582800    
 H    1.418900       3.835400     -0.4849000    
 H    3.414200       3.865200      0.9679000    
 H  -0.2607000      -3.194700       2.198600    


%chk=000168182-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168182

0 1
O -2.090703 0.147070 -1.545867
O -0.321865 -2.812146 1.826144
O 0.412956 -4.161816 0.087690
N -1.117340 -0.840608 0.313016
N 3.720778 -0.552780 0.480544
N -2.173006 2.608308 0.060266
C -0.558500 -1.961986 -0.449337
C -3.902907 1.065976 1.002655
C -2.392603 1.269799 0.644270
C 0.631262 -1.557208 -1.397247
C 1.786322 -0.890978 -0.695749
C 1.995358 0.540107 -0.540223
C -1.866737 0.148028 -0.289512
C 3.215607 0.723092 0.202671
C -4.840991 1.220090 -0.216763
C -4.142264 -0.281019 1.724339
C 2.862507 -1.519942 -0.065370
C -0.111670 -3.094247 0.466767
C 1.279226 1.685383 -0.983041
C 3.722207 2.002828 0.523167
C 1.782685 2.963310 -0.671267
C 2.987979 3.120632 0.078022
H -1.350452 -2.366996 -1.112988
H -4.125942 1.890853 1.709327
H -1.828138 1.228187 1.597681
H 0.198599 -0.883733 -2.156805
H 0.954230 -2.481223 -1.909868
H -0.942741 -0.818665 1.319342
H -5.892818 1.085751 0.097621
H -4.754627 2.226429 -0.663850
H -4.612676 0.474499 -0.998564
H -3.971800 -1.139756 1.048539
H -3.477926 -0.400310 2.602406
H -5.185686 -0.341693 2.083949
H 3.085688 -2.582671 0.017994
H 4.589435 -0.748976 0.972522
H -2.523859 2.655294 -0.905297
H -1.187999 2.899711 0.103005
H 0.359472 1.571834 -1.568420
H 4.651720 2.130253 1.089513
H 1.252917 3.857786 -1.019300
H 3.352323 4.128982 0.303883
H -0.000720 -3.575247 2.377635


